In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 38 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.16 | 13.52 | -45.16 | 1 | 6 | 1 | 51 | 514.642 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.16 | 11.31 | -12.24 | 0 | 6 | 0 | 49 | 513.634 | 7 | ↓ |